SCHEMBL3376509

SCHEMBL3376509

O=C(Cc1ccccn1)NCC1CC(Oc2ccc(CN3CCCC3)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.52
ALDH1A1 P00352 2/20 0.48
RAB9A P51151 2/20 0.47
KMT2A Q03164 1/20 0.47
FAAH O00519 5/20 0.46
ACHE P22303 5/20 0.46
BCHE P06276 3/20 0.46
NPC1 O15118 3/20 0.45
POLB P06746 1/20 0.45
KCNH2 Q12809 1/20 0.43
MCHR1 Q99705 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3379041 0.84 SIGMAR1 (0.47) SIGMAR1FAAHACHEBCHEKCNH2
SCHEMBL3380018 0.81 ALDH1A1 (0.47) SIGMAR1ALDH1A1RAB9AKMT2ANPC1
SCHEMBL3377442 0.81 ADRB2 (0.49) KMT2AFAAHACHEBCHEKCNH2
SCHEMBL3376675 0.79 HRH3 (0.51) ALDH1A1KMT2AFAAHKCNH2MCHR1
SCHEMBL3378855 0.79 HRH3 (0.48) KMT2AFAAHACHEBCHEKCNH2
SCHEMBL3378858 0.79 HRH3 (0.48) KMT2AFAAHACHEBCHEKCNH2
SCHEMBL3379190 0.79 FAAH (0.51) KMT2AFAAHACHEBCHEKCNH2
SCHEMBL3377693 0.79 FAAH (0.47) RAB9AKMT2AFAAHACHEBCHE
SCHEMBL3379633 0.79 KCNH2 (0.43) KMT2AKCNH2MCHR1
SCHEMBL3377240 0.78 HRH3 (0.51) KMT2AFAAHACHEBCHEPOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 EP claimed
US-7812040-B2 such as 3-(3-Acetyl-phenyl)-1-[3-(3-chloro-4-pyrrolidin-1-ylmethyl-phenoxy)-cyclobutylmethyl]-1-methyl-urea, used for the treatment of , schizophrenia, Alzheimer's disease, attention-deficit hyperactivity disorder, hypotension, allergies, cardiovascular, gastrointestinal and psychological disorders PFIZER INC. (US) 2010-10-12 US claimed
US-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER INC. (US) 2009-05-21 US claimed
EP-1899296-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2008-03-19 EP claimed
WO-2006136924-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-12-28 WO claimed
EP-1899296-B1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PROD INC (US) 2010-11-17 EP disclosed
US-7812040-B2 such as 3-(3-Acetyl-phenyl)-1-[3-(3-chloro-4-pyrrolidin-1-ylmethyl-phenoxy)-cyclobutylmethyl]-1-methyl-urea, used for the treatment of , schizophrenia, Alzheimer's disease, attention-deficit hyperactivity disorder, hypotension, allergies, cardiovascular, gastrointestinal and psychological disorders PFIZER INC. (US) 2010-10-12 US disclosed
US-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER INC. (US) 2009-05-21 US disclosed
EP-1899296-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS Pfizer Products Incorporated (US) 2008-03-19 EP disclosed
WO-2006136924-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS PFIZER PRODUCTS INC. (US) 2006-12-28 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090131433-A1 HISTAMINE-3 RECEPTOR ANTAGONISTS HRH3, HRH4, HRH2 SIGMAR1 908/4885ALDH1A1 923/4885RAB9A 303/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.